General Information of the Compound
Compound ID
CP0398620
Compound Name
6-chloro-2-((6-chlorobenzo[d][1,3]dioxol-5-yloxy)methyl)-5-methyl-1H-benzo[d]imidazole
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Structure
Formula
C16H12Cl2N2O3
Molecular Weight
351.189
Canonical SMILES
Cc1cc2[nH]c(COc3cc4OCOc4cc3Cl)nc2cc1Cl
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InChI
InChI=1S/C16H12Cl2N2O3/c1-8-2-11-12(3-9(8)17)20-16(19-11)6-21-13-5-15-14(4-10(13)18)22-7-23-15/h2-5H,6-7H2,1H3,(H,19,20)
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InChIKey
BKPOQXHTDNXEKD-UHFFFAOYSA-N
Physicochemical Property
logP
4.48582
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
56.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 44589930
ChEMBL ID
CHEMBL470169
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01996, Bombesin receptor subtype-3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 32000 nM
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